Ultrafast polarization switching in BaTiO${}_3$ by photoactivation of its ferroelectric and central modes

Abstract

We use molecular dynamics simulations with machine-learned atomistic force fields to simulate photoexcitation of BaTiO3 by a femtosecond laser pulse whose photon energy exceeds the optical gap. We demonstrate selective displacive excitation of coherent zone-center ferroelectric mode phonons and of the strongly anharmonic central mode. We show that the direction of P can either be reversed by a pulse in hundreds of femtoseconds or, on a longer time scale and when combined with a weak field, switched to any one of its symmetry-equivalent directions.

References in corpus (7)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
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• All-electron theory of the coupling between laser-induced coherent phonons in bismuth
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Cited by in corpus (1)

• Intervention Strategies for Polarization Switching in Hybrid Improper Ferroelectrics